CID 509106

3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C23H18Cl2N2O4
SMILES
COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H18Cl2N2O4/c1-30-17-9-5-16(6-10-17)27-22(28)13-20(23(27)29)26-15-4-11-21(19(25)12-15)31-18-7-2-14(24)3-8-18/h2-12,20,26H,13H2,1H3
InChIKey
VOKSWSPVSKKPRP-UHFFFAOYSA-N
Compound name
3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.06436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.07164 206.7
[M+Na]+ 479.05358 216.1
[M-H]- 455.05708 218.0
[M+NH4]+ 474.09818 216.7
[M+K]+ 495.02752 208.9
[M+H-H2O]+ 439.06162 196.8
[M+HCOO]- 501.06256 219.3
[M+CH3COO]- 515.07821 216.1
[M+Na-2H]- 477.03903 204.2
[M]+ 456.06381 212.2
[M]- 456.06491 212.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.